2-chloro-6-(3-piperazin-1-ylazetidin-1-yl)pyrazine

C11H16ClN5 — CID 116650875

IUPAC2-chloro-6-(3-piperazin-1-ylazetidin-1-yl)pyrazine
SMILESClc1cncc(N2CC(N3CCNCC3)C2)n1
InChIInChI=1S/C11H16ClN5/c12-10-5-14-6-11(15-10)17-7-9(8-17)16-3-1-13-2-4-16/h5-6,9,13H,1-4,7-8H2
InChIKeyARLDYQZDUYQKEO-UHFFFAOYSA-N
MW253.74 g/mol
LogP0.22
Rot. Bonds2

About 2-chloro-6-(3-piperazin-1-ylazetidin-1-yl)pyrazine

2-chloro-6-(3-piperazin-1-ylazetidin-1-yl)pyrazine (PubChem CID 116650875) has the molecular formula C11H16ClN5 and a molecular weight of 253.74 g/mol. Its IUPAC name is 2-chloro-6-(3-piperazin-1-ylazetidin-1-yl)pyrazine.

Molecular Properties

Compound Name2-chloro-6-(3-piperazin-1-ylazetidin-1-yl)pyrazine
PubChem CID116650875
Molecular FormulaC11H16ClN5
Molecular Weight253.74 g/mol
Exact Mass253.11
IUPAC Name2-chloro-6-(3-piperazin-1-ylazetidin-1-yl)pyrazine
SMILESClc1cncc(N2CC(N3CCNCC3)C2)n1
InChIInChI=1S/C11H16ClN5/c12-10-5-14-6-11(15-10)17-7-9(8-17)16-3-1-13-2-4-16/h5-6,9,13H,1-4,7-8H2
InChIKeyARLDYQZDUYQKEO-UHFFFAOYSA-N
XLogP0.22
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.74
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-6-(3,4-dimethylpyrrolidin-1-yl)pyrazine
CID 79035105
2-chloro-6-(2-methylpiperazin-1-yl)pyrazine
CID 18186773
(3R)-1-(6-chloropyrazin-2-yl)pyrrolidin-3-ol
CID 86323671
6-(3-piperazin-1-ylazetidin-1-yl)pyridine-2-carboxamide
CID 66197754
2-chloro-6-[3-methyl-4-(2,2,2-trifluoroethyl)piperazin-1-yl]pyrazine
CID 133431598
2-chloro-6-(4-propan-2-ylpiperidin-1-yl)pyrazine
CID 59598902
1-(6-chloropyrazin-2-yl)-3-methylpiperidin-4-amine
CID 116650896
1-[1-(3-bromo-5-chloro-2-pyridinyl)azetidin-3-yl]piperazine
CID 114836339
5-(3-piperazin-1-ylazetidin-1-yl)tetrazolo[1,5-a]pyrazine
CID 66196007
2-[3-(4-cyclohexylpiperazin-1-yl)azetidin-1-yl]-6-methylpyrazine
CID 126892627
1-(6-chloropyrazin-2-yl)azepan-4-ol
CID 130702579
2-chloro-6-(4-propan-2-ylpiperazin-1-yl)pyrazine
CID 61362795

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-(3-piperazin-1-ylazetidin-1-yl)pyrazine?
The IUPAC name of 2-chloro-6-(3-piperazin-1-ylazetidin-1-yl)pyrazine (CID 116650875) is 2-chloro-6-(3-piperazin-1-ylazetidin-1-yl)pyrazine.
What is the SMILES notation for 2-chloro-6-(3-piperazin-1-ylazetidin-1-yl)pyrazine?
The canonical SMILES for 2-chloro-6-(3-piperazin-1-ylazetidin-1-yl)pyrazine is Clc1cncc(N2CC(N3CCNCC3)C2)n1.
What is the InChIKey of 2-chloro-6-(3-piperazin-1-ylazetidin-1-yl)pyrazine?
The InChIKey is ARLDYQZDUYQKEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN5/c12-10-5-14-6-11(15-10)17-7-9(8-17)16-3-1-13-2-4-16/h5-6,9,13H,1-4,7-8H2.
What are the key properties of 2-chloro-6-(3-piperazin-1-ylazetidin-1-yl)pyrazine?
2-chloro-6-(3-piperazin-1-ylazetidin-1-yl)pyrazine has a molecular weight of 253.74 g/mol, XLogP of 0.22, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-(3-piperazin-1-ylazetidin-1-yl)pyrazine is sourced from PubChem (CID 116650875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).